UCSF

ZINC18106133

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 16 Yes

Popular Name: 3-benzylsulfanyl-6-methyl-4H-1,2,4-triazin-5-one 3-benzylsulfanyl-6-methyl-4H-1,2…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 4.37 -9.73 1 4 0 59 233.296 3 ↓
Mid Mid (pH 6-8) 2.34 3.03 -41.6 0 4 -1 62 232.288 3 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )